4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol

C16H17F2NO2 — CID 107715391

IUPAC4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol
SMILESCCOc1ccc(NC(C)c2ccc(O)cc2F)cc1F
InChIInChI=1S/C16H17F2NO2/c1-3-21-16-7-4-11(8-15(16)18)19-10(2)13-6-5-12(20)9-14(13)17/h4-10,19-20H,3H2,1-2H3
InChIKeyGYWNNEJAWUHQKN-UHFFFAOYSA-N
MW293.31 g/mol
LogP4.24
Rot. Bonds5

About 4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol

4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol (PubChem CID 107715391) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol
PubChem CID107715391
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol
SMILESCCOc1ccc(NC(C)c2ccc(O)cc2F)cc1F
InChIInChI=1S/C16H17F2NO2/c1-3-21-16-7-4-11(8-15(16)18)19-10(2)13-6-5-12(20)9-14(13)17/h4-10,19-20H,3H2,1-2H3
InChIKeyGYWNNEJAWUHQKN-UHFFFAOYSA-N
XLogP4.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(3-bromo-4-methoxyanilino)ethyl]-3-fluorophenol
CID 107715209
4-[1-(4-bromo-3-methoxyanilino)ethyl]-3-fluorophenol
CID 107715362
4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol
CID 107714548
3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol
CID 107714824
2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide
CID 113399730
4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol
CID 107714542
2-[1-(3-chloro-4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63067302
4-ethoxy-3-fluoro-N-hexan-3-ylaniline
CID 114079602
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol
CID 107715105
N-(4-ethoxy-3-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206242
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol (CID 107715391) is 4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol is CCOc1ccc(NC(C)c2ccc(O)cc2F)cc1F.
What is the InChIKey of 4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol?
The InChIKey is GYWNNEJAWUHQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-3-21-16-7-4-11(8-15(16)18)19-10(2)13-6-5-12(20)9-14(13)17/h4-10,19-20H,3H2,1-2H3.
What are the key properties of 4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol?
4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol has a molecular weight of 293.31 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol is sourced from PubChem (CID 107715391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).